Results 201 to 210 of about 31,504 (300)

Nanomaterials-Decorated Biomass-Derived Carbon for Overall Water Splitting: Interfacial Engineering, Mechanistic Insights, and Device Translation. [PDF]

Chem Rec
Jebin P, Khan MR, Shah SS, Kamal SMM, Subarna MK, Debnath N, Aziz MA, Kim BJ, Ahammad AJS.   +8 more
europepmc   +1 more source

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

Advanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Biomass-Derived Amorphous Carbon with Intrinsic Nitrogen Doping for Hydrogen Peroxide Electrosynthesis. [PDF]

ACS Omega
Pereira FDS, Paiva VM, Teixeira AC, da Costa MEHM, do Couto-Pessanha E, Marinkovic BA, Suguihiro NM, Romano PN, Garcia MAS, de Almeida JMAR, D'Elia E.   +10 more
europepmc   +1 more source

FastCat: Autonomous Discovery of Multielement Layered Double Hydroxide Alloy Catalysts for Alkaline Oxygen Evolution Reaction

Advanced Intelligent Discovery, EarlyView.
A machine learning‐guided self‐driving laboratory screened over 500 nickel‐based layered double‐hydroxide catalysts for alkaline oxygen evolution. Out of the eight metals, the robot uncovered a quaternary Ni–Fe–Cr–Co catalysts requiring only 231 mV overpotential to reach 20 mA cm−2.
Nis Fisker‐Bødker, Enzo Raffaele Moretti, Jin Hyun Chang, Tejs Vegge   +3 more
wiley   +1 more source

Machine Learning‐Assisted Second‐Order Perturbation Theory for Chemical Potential Correction Toward Hubbard U Determination

Advanced Intelligent Discovery, EarlyView.
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun, Tong Wu, Baian Chen, Zikang Li, Qiuyang Lu, Lu Lu, Hon Ho Wong, Cheuk Hei Chan, Bolong Huang   +8 more
wiley   +1 more source

From Experiment-Driven to Theory- and Data-Driven: A Computational Paradigm Shift in High-Entropy Electrocatalyst Design. [PDF]

Adv Mater
Fan F, Cai W, Huang Z, Guan T, Qiu Y, Zhou Z, Wu Y, Xia X, Bao N, Zhang L.   +9 more
europepmc   +1 more source

From Word2Vec to Transformers: Text‐Derived Composition Embeddings for Filtering Combinatorial Electrocatalysts

Advanced Intelligent Discovery, EarlyView.
With the downstream filter held fixed, text‐derived composition representations produce distinct screening outcomes across 14 electrocatalyst libraries. Embedding model and composition encoding control the trade‐off between candidate reduction and preservation of the best measured current.
Lei Zhang, Markus Stricker
wiley   +1 more source

Electrocatalytic Oxidation of Lignin on Cobalt Electrodes in Alkaline Media. [PDF]

Langmuir
Dourado AHB, Germano LD, Epifanio LCS, Santos M, Curvelo AAS, Varela H.   +5 more
europepmc   +1 more source

Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

Advanced Intelligent Systems, EarlyView.
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao   +5 more
wiley   +1 more source

A Stereoscopic Perspective on the Triple-Phase Interface Microenvironment in Electrochemical CO₂ Reduction: Insights from In Situ Studies. [PDF]

Nanomicro Lett
Zhang G, Shen P, Li X, Zhu L, Shen S, Zhang J, Huang Z.   +6 more
europepmc   +1 more source